| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007861
BDB007861
|
BDBM184617
CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(c1ccc(Cl)cc1)C(=O)N2c1ccc(Cl)cc1
|
C23H21Cl2N5O2 470.360000 |
NNUAFICKSHAQML-AWEZNQCLSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM184617; PubChem:CID70980534
|
Local ready
Direct docking supported
|
|
E3L007862
BDB007862
|
BDBM184618
CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(Cc1cscn1)C(=O)N2c1ccc(Cl)cc1
|
C21H21ClN6O2S 456.959000 |
UDJRBEWYQBAVQL-ZDUSSCGKSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM184618; PubChem:CID70980711
|
Local ready
Direct docking supported
|
|
E3L007863
BDB007863
|
Crenolanib
CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
|
C26H29N5O2 443.551000 |
DYNHJHQFHQTFTP-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM185149; PubChem:CID10366136
|
Local ready
Direct docking supported
|
|
E3L007864
BDB007864
|
Rebastinib
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1
|
C30H28FN7O3 553.598000 |
WVXNSAVVKYZVOE-UHFFFAOYSA-N | O14965, P51617 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM185674; PubChem:CID25066467
|
Local ready
Direct docking supported
|
|
E3L007865
BDB007865
|
BDBM185794
COc1ccc(C(=O)C2CCN(C3CCN(Cc4nc5c(c(=O)[nH]4)COCC5)C3=O)CC2)cc1
|
C25H30N4O5 466.538000 |
QWYIBGOLIBASGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185794; PubChem:CID136232716
|
Local ready
Direct docking supported
|
|
E3L007866
BDB007866
|
BDBM185795
COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5c(c(=O)[nH]4)COCC5)C3=O)CC2)cc1
|
C25H30N4O5 466.538000 |
QWYIBGOLIBASGM-NRFANRHFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185795; PubChem:CID136232717
|
Local ready
Direct docking supported
|
|
E3L007867
BDB007867
|
BDBM185798
COc1ccc(C(=O)C2CCN(C3CCN(Cc4nc5c(cnn5C)c(=O)[nH]4)C3=O)CC2)cc1
|
C24H28N6O4 464.526000 |
TYQINFQXCFVKCF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185798; PubChem:CID136629972
|
Local ready
Direct docking supported
|
|
E3L007868
BDB007868
|
BDBM185801
O=C(c1ccc(Cl)cc1)C1CCN(C2CCN(Cc3nc4c(c(=O)[nH]3)COCC4)C2=O)CC1
|
C24H27ClN4O4 470.957000 |
LJLQEWDFIMKBSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185801; PubChem:CID136232719
|
Local ready
Direct docking supported
|
|
E3L007869
BDB007869
|
BDBM185802
O=C(c1ccc(F)cc1)C1CCN(C2CCN(Cc3nc4c(c(=O)[nH]3)COCC4)C2=O)CC1
|
C24H27FN4O4 454.502000 |
DDIZJESACWEABB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185802; PubChem:CID136232720
|
Local ready
Direct docking supported
|
|
E3L007870
BDB007870
|
BDBM185803
O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3nc4c(c(=O)[nH]3)COCC4)C2=O)CC1
|
C24H27FN4O4 454.502000 |
DDIZJESACWEABB-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185803; PubChem:CID136232721
|
Local ready
Direct docking supported
|
|
E3L007871
BDB007871
|
BDBM185805
COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5c(c(=O)[nH]4)COCC5)C3=O)CC2)cc1C
|
C26H32N4O5 480.565000 |
BVCFVQGPDDYTEY-NRFANRHFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185805; PubChem:CID136232723
|
Local ready
Direct docking supported
|
|
E3L007872
BDB007872
|
BDBM185809
COc1ccc(C(=O)C2CCN(C3CCN(Cc4nc5c(c(=O)[nH]4)CCC5)C3=O)CC2)cc1
|
C25H30N4O4 450.539000 |
IMXDGAQYSOUZNJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185809; PubChem:CID136232731
|
Local ready
Direct docking supported
|
|
E3L007873
BDB007873
|
BDBM185812
CCc1cc(=O)[nH]c(CN2CCC(N3CCC(C(=O)c4ccc(OC)cc4)CC3)C2=O)n1
|
C24H30N4O4 438.528000 |
DEGIMKQHUITSSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185812; PubChem:CID136232733
|
Local ready
Direct docking supported
|
|
E3L007874
BDB007874
|
BDBM185813
COc1ccc(C(=O)C2CCN(C3CCN(Cc4ncc(C)c(=O)[nH]4)C3=O)CC2)cc1
|
C23H28N4O4 424.501000 |
VNXUSDDWRYWPQI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185813; PubChem:CID71212282
|
Local ready
Direct docking supported
|
|
E3L007875
BDB007875
|
BDBM185814
COc1ccc(C(=O)C2CCN(C3CCN(Cc4nc(C)c(C)c(=O)[nH]4)C3=O)CC2)cc1
|
C24H30N4O4 438.528000 |
HTWNXILBIKZTTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185814; PubChem:CID136232734
|
Local ready
Direct docking supported
|
|
E3L007876
BDB007876
|
BDBM185816
COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5ccccc(=O)c5[nH]4)C3=O)CC2)cc1C
|
C27H30N4O4 474.561000 |
DUCZLEBAUSAZOC-NRFANRHFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185816; PubChem:CID89375779
|
Local ready
Direct docking supported
|
|
E3L007877
BDB007877
|
BDBM185819
COc1ccc(C(=O)C2CCN([C@@H]3CCN(Cc4nc5ccccc(=O)c5[nH]4)C3=O)CC2)cc1
|
C26H28N4O4 460.534000 |
NVYDBKBQXGPVQD-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185819; PubChem:CID71488288
|
Local ready
Direct docking supported
|
|
E3L007878
BDB007878
|
BDBM185820
COc1ccc(C(=O)C2CCN(C3CCN(CC(=O)Nc4nnc5n4CCS5)C3=O)CC2)cc1
|
C23H28N6O4S 484.582000 |
PADREXIRIZBNMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185820; PubChem:CID71212159
|
Local ready
Direct docking supported
|
|
E3L007879
BDB007879
|
BDBM185827
COc1ccc(C(=O)C2CCN([C@H]3CCN(CC(=O)Nc4nnc5n4CCS5)C3=O)CC2)cc1
|
C23H28N6O4S 484.582000 |
PADREXIRIZBNMQ-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185827; PubChem:CID71212250
|
Local ready
Direct docking supported
|
|
E3L007880
BDB007880
|
BDBM185828
COc1ccc(C(=O)C2CCN([C@@H]3CCN(CC(=O)Nc4nnc5n4CCS5)C3=O)CC2)cc1
|
C23H28N6O4S 484.582000 |
PADREXIRIZBNMQ-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM185828; PubChem:CID71212285
|
Local ready
Direct docking supported
|